[1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate

Systemtic Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate Openeye Name: 1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] ester IUPAC Name: [1-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-1-oxobutan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid 1-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]propyl ester Formula: C22H20N4O4S MolecularWeight: 436.4836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)OC(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

CCC(C(=O)NC1=NC2=C(S1)C=C(C=C2)OCC)OC(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C22H20N4O4S/c1-3-18(30-21(28)17-12-23-14-7-5-6-8-15(14)24-17)20(27)26-22-25-16-10-9-13(29-4-2)11-19(16)31-22/h5-12,18H,3-4H2,1-2H3,(H,25,26,27)